Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6242   -0.0505   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5660    0.5513   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    0.1547   -0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1136    0.6679   -0.5719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    0.0578    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4476   -0.9652    0.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1036   -1.7679    1.6650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9227   -0.8494    0.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9037    1.0278    0.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9044   -0.6659   -0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4734   -0.8419    0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241    0.2324   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7227    1.3400   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7220    0.4103    1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380    1.7284    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    1.5799    1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879   -1.7688   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6544   -0.3857   -2.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9838   -0.4552   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers